PROTONATION, TAUTOMERIZATION AND VALENCE TAUTOMERIZATION OF SELECTED IMIDAZO[4,5-F]QUINOLINES - A THEORETICAL-STUDY OF GAS AND LIQUID BASICITY OF IMIDAZO[4,5-F]QUINOLINES


OGRETIR C., KANISKAN N.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.98, ss.167-171, 1993 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 98
  • Basım Tarihi: 1993
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED)
  • Sayfa Sayıları: ss.167-171
  • Anadolu Üniversitesi Adresli: Hayır

Özet

The theoretical calculations on imidazo[4,5-f] quinolines has shown that the first protonation takes place at the pyridine nitrogen atom rather than at the imidazole nitrogen atom. The preferred tautomeric form was found to be the 3H form. A satisfactory correlation between experimentally obtained pK(a) values and computed electron densities and energies was found.